⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL367026 | 0.93 | — | — | |
| SCHEMBL28109723 | 0.86 | — | — | |
| Fluoride SCHEMBL23581255 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL15328527 | 0.86 | — | — | |
| Fluoride SCHEMBL28277959 | 0.86 | — | — | |
| SCHEMBL4446067 | 0.76 | — | — | |
| Methylsulfanylmethane SCHEMBL4446069 | 0.72 | — | — | |
| SCHEMBL10092718 | 0.67 | — | — | |
| Propene SCHEMBL8586647 | 0.57 | — | — | |
| SCHEMBL730600 | 0.54 | TRPA1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9241272-A | — | — | None | — | — | JP | disclosed |
| JP-H09241272-A | 2-STANYLVINYLBORANE COMPOUND AND PRODUCTION OF THE SAME | AGENCY OF IND SCIENCE & TECHNOL | 1997-09-16 | — | — | JP | disclosed |